MMsINC Database Search
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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02865012

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IPM3-ISOPROPYLMALIC ACIDA,B1A050.76
IPM3-ISOPROPYLMALIC ACIDA1HJ60.76
HCT(2R)-butane-1,2,4-tricarboxylic acidA,B,C3DP80.81
HCT(2R)-butane-1,2,4-tricarboxylic acidA,B,C3E3K0.81
LEALEVULINIC ACIDP1VWR0.73
LEALEVULINIC ACIDM,P1VWJ0.73
LEALEVULINIC ACIDA,B1W1Z0.73
LEALEVULINIC ACIDA,B1B4K0.73
LEALEVULINIC ACIDM,P1VWK0.73
LEALEVULINIC ACIDP1VWQ0.73
LEALEVULINIC ACIDA1UK80.73
LEALEVULINIC ACIDM,P1VWL0.73
LEALEVULINIC ACIDM,P1VWI0.73
LEALEVULINIC ACIDA1B4E0.73
COI2-OXO-4-METHYLPENTANOIC ACIDA,B1QS00.76
COI2-OXO-4-METHYLPENTANOIC ACIDA,C1UMD0.76
COI2-OXO-4-METHYLPENTANOIC ACIDA1DXY0.76
COI2-OXO-4-METHYLPENTANOIC ACIDA,B2HDK0.76
COI2-OXO-4-METHYLPENTANOIC ACIDA1HJF0.76
SMB2-METHYLBUTANOIC ACIDA,B,C1YA80.73
SMB2-METHYLBUTANOIC ACIDA1UKA0.73
4MV4-METHYL VALERIC ACIDA,B,C1I1M0.84
4MV4-METHYL VALERIC ACIDA,B,C2EIY0.84
4MV4-METHYL VALERIC ACIDA2ECO0.84
4MV4-METHYL VALERIC ACIDA,C,D1UMC0.84
4MV4-METHYL VALERIC ACIDA,B2COG0.84
3OC(1R)-3-oxocyclohexanecarboxylic acidA,B3DZL0.7
MICALPHA-METHYLISOCITRIC ACIDA1AMI0.76
SHFLAEVULINIC ACIDA1YLV0.74
SHFLAEVULINIC ACIDA1H7N0.74
SIF3-TRIMETHYLSILYLSUCCINIC ACIDA,B1FUQ0.76
IVAISOVALERIC ACIDA1YOO0.73
IVAISOVALERIC ACIDE,I4ER20.73
IVAISOVALERIC ACIDE,I1APU0.73
IVAISOVALERIC ACIDE,I1APW0.73
IVAISOVALERIC ACIDE,I1APT0.73
IVAISOVALERIC ACIDA2D5Y0.73
IVAISOVALERIC ACIDA,I1GA40.73
IVAISOVALERIC ACIDE,I1PPK0.73
IVAISOVALERIC ACIDA,B,C,D1QS80.73
IVAISOVALERIC ACIDA,B,C1NLU0.73
IVAISOVALERIC ACIDA,B2RMP0.73
IVAISOVALERIC ACIDA,B1KE10.73
IVAISOVALERIC ACIDE,I1PPL0.73
IVAISOVALERIC ACIDA,B,C,D,I,J1LYB0.73
IVAISOVALERIC ACIDA2D640.73
IVAISOVALERIC ACIDI2ER00.73
IVAISOVALERIC ACIDI1QRP0.73
IVAISOVALERIC ACIDE,I1APV0.73
IVAISOVALERIC ACIDA,B1KDZ0.73
IVAISOVALERIC ACIDA1UK90.73
IVAISOVALERIC ACIDA,I1WKR0.73
IVAISOVALERIC ACIDA,I3FNT0.73
IVAISOVALERIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
3FV30.73
IVAISOVALERIC ACIDI1PSO0.73
IVAISOVALERIC ACIDI6APR0.73
IVAISOVALERIC ACIDA2D630.73
OXS2-OXALOSUCCINIC ACIDA1IDC0.7
MSUSUCCINIC ACID MONOMETHYL ESTERA,B,I,J2RDL0.72
MSUSUCCINIC ACID MONOMETHYL ESTERI1HNE0.72
MSUSUCCINIC ACID MONOMETHYL ESTERA,B2H5D0.72
MSUSUCCINIC ACID MONOMETHYL ESTERE,I3PRK0.72
SINSUCCINIC ACIDA,B1KQE0.7
SINSUCCINIC ACIDA,B,C,D1KOR0.7
SINSUCCINIC ACIDA,B,C,D3GXW0.7
SINSUCCINIC ACIDA2AYD0.7
SINSUCCINIC ACIDA,B,D,E2BWN0.7
SINSUCCINIC ACIDA,B3E4O0.7
SINSUCCINIC ACIDC,D1ZKF0.7
SINSUCCINIC ACIDA1UO90.7
SINSUCCINIC ACIDA,B3BY90.7
SINSUCCINIC ACIDH,I1OYT0.7
SINSUCCINIC ACIDA,B,C,D1VZ50.7
SINSUCCINIC ACIDI1THS0.7
SINSUCCINIC ACIDA2WBP0.7
SINSUCCINIC ACIDA,B2DJL0.7
SINSUCCINIC ACIDD,H2FES0.7
SINSUCCINIC ACIDA,B3CQY0.7
SINSUCCINIC ACIDA,B,F,G2Q8D0.7
SINSUCCINIC ACIDA,B2BIF0.7
SINSUCCINIC ACIDA2FDJ0.7
SINSUCCINIC ACIDA1O6F0.7
SINSUCCINIC ACIDA1O6G0.7
SINSUCCINIC ACIDH2CN00.7
SINSUCCINIC ACIDC,D1RMH0.7
SINSUCCINIC ACIDA,B,D,F,G,H,I2IXP0.7
SINSUCCINIC ACIDA,B3EDN0.7
SINSUCCINIC ACIDA2CNQ0.7
SINSUCCINIC ACIDA,B,C,D2Z0A0.7
SINSUCCINIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1HQJ0.7
SINSUCCINIC ACIDA3GC20.7
SINSUCCINIC ACIDS1AU80.7
SINSUCCINIC ACIDA1RPV0.7
SINSUCCINIC ACIDB,M,P2RKZ0.7
SINSUCCINIC ACIDA1KYC0.7
SINSUCCINIC ACIDA1D4D0.7
SINSUCCINIC ACIDB1PIP0.7
SINSUCCINIC ACIDD,H2FEQ0.7
SINSUCCINIC ACIDH,P2ANK0.7
SINSUCCINIC ACIDA1CZE0.7
SINSUCCINIC ACIDA,B,C,D,E,F,
G,H
3HWK0.7
SINSUCCINIC ACIDA,B,C,D1F8I0.7
SINSUCCINIC ACIDA,B,C,D1XG30.7
SINSUCCINIC ACIDH,P2A2X0.7
SINSUCCINIC ACIDA1H2Z0.7
SINSUCCINIC ACIDA,B,C,D1HG00.7
SINSUCCINIC ACIDA,B,C,D,E,F,
G,H
1L4X0.7
SINSUCCINIC ACIDA2CSG0.7
SINSUCCINIC ACIDA1KNP0.7
SINSUCCINIC ACIDA1E5H0.7
SINSUCCINIC ACIDA1ABZ0.7
SINSUCCINIC ACIDD,H1NZQ0.7
SINSUCCINIC ACIDA,B2V620.7
SINSUCCINIC ACIDA,B2FDG0.7
SINSUCCINIC ACIDA,B2FDK0.7
SINSUCCINIC ACIDA,B2FDI0.7
SINSUCCINIC ACIDH2CF90.7
SINSUCCINIC ACIDB1LOP0.7
SINSUCCINIC ACIDA,B1H6C0.7
SINSUCCINIC ACIDA3BIF0.7
SINSUCCINIC ACIDA1ZWG0.7
SINSUCCINIC ACIDS1CGH0.7
SINSUCCINIC ACIDD,H1O0D0.7
SINSUCCINIC ACIDH2CF80.7
SINSUCCINIC ACIDA2CGN0.7
SINSUCCINIC ACIDA,X2AGE0.7
SINSUCCINIC ACIDA,B,C,D,E,F,
G,H
3HZN0.7
SINSUCCINIC ACIDA,B1QGL0.7
SINSUCCINIC ACIDH2V3O0.7
SINSUCCINIC ACIDA,B,C,D2PC60.7
SINSUCCINIC ACIDA2R2J0.7
SINSUCCINIC ACIDH,I2V3H0.7
SINSUCCINIC ACIDC1V9T0.7
SINSUCCINIC ACIDA2OG70.7
SINSUCCINIC ACIDA,D1VZ40.7
SINSUCCINIC ACIDA,X2AGG0.7
SINSUCCINIC ACIDA1GP60.7
CCM1-METHYL-1-CARBOXY-CYCLOPENTANEA1THL0.7
SLE2-(THIOMETHYLENE)-4-METHYLPENTANOIC ACIDA,B1ATL0.72
LMLISOBUTYL MALONIC ACIDA1BFW0.78
2PP2-PROPYL-PENTANOIC ACIDP1DIT0.78
TRCTRICARBALLYLIC ACIDA6ACN0.85
TRCTRICARBALLYLIC ACIDA,B2PW00.85
TRCTRICARBALLYLIC ACIDA5ACN0.85